SCHEMBL9900901

SCHEMBL9900901

O=c1[nH]c2csc(Br)c2nc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KHK P50053 1/20 0.47
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
PABPC1 P11940 1/20 0.44
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
ENPP1 P22413 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9905836 0.76 KDM4E (0.43) KDM4EALDH1A1KHKKMT2AMEN1
SCHEMBL30212541 0.72 KDM4E (0.49) KDM4EALDH1A1KHKKMT2AMEN1
SCHEMBL9904546 0.70 KDM4E (0.58) KDM4EALDH1A1KHKKMT2AMEN1
SCHEMBL22912818 0.67 KDM4E (0.62) KDM4EALDH1A1KHKKMT2AMEN1
SCHEMBL22912819 0.67 KDM4E (0.62) KDM4EALDH1A1KHKKMT2AMEN1
SCHEMBL29396688 0.67 KDM4E (0.62) KDM4EALDH1A1KHKKMT2AMEN1
SCHEMBL12794446 0.65 KDM4E (1.00) KDM4EALDH1A1KHKKMT2AMEN1
SCHEMBL29790278 0.65 KDM4E (1.00) KDM4EALDH1A1KHKKMT2AMEN1
SCHEMBL29773331 0.64 KDM4E (0.62) KDM4EALDH1A1KHKKMT2AMEN1
SCHEMBL30212671 0.63 KDM4E (0.46) KDM4EALDH1A1KHKKMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012076966-A1 SUBSTITUTED THIENO [3,4-B] PYRAZINE COMPOUNDS LUPIN LIMITED (IN) 2012-06-14 WO disclosed
WO-2012076966-A1 SUBSTITUTED THIENO [3,4-B] PYRAZINE COMPOUNDS LUPIN LIMITED (IN) 2012-06-14 WO disclosed